2-(1,1-dimethoxypropan-2-yloxymethyl)pyridine

C11H17NO3 — CID 67415336

IUPAC2-(1,1-dimethoxypropan-2-yloxymethyl)pyridine
SMILESCOC(OC)C(C)OCc1ccccn1
InChIInChI=1S/C11H17NO3/c1-9(11(13-2)14-3)15-8-10-6-4-5-7-12-10/h4-7,9,11H,8H2,1-3H3
InChIKeyWECKZARKEFDAKD-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.61
Rot. Bonds6

About 2-(1,1-dimethoxypropan-2-yloxymethyl)pyridine

2-(1,1-dimethoxypropan-2-yloxymethyl)pyridine (PubChem CID 67415336) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(1,1-dimethoxypropan-2-yloxymethyl)pyridine.

Molecular Properties

Compound Name2-(1,1-dimethoxypropan-2-yloxymethyl)pyridine
PubChem CID67415336
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-(1,1-dimethoxypropan-2-yloxymethyl)pyridine
SMILESCOC(OC)C(C)OCc1ccccn1
InChIInChI=1S/C11H17NO3/c1-9(11(13-2)14-3)15-8-10-6-4-5-7-12-10/h4-7,9,11H,8H2,1-3H3
InChIKeyWECKZARKEFDAKD-UHFFFAOYSA-N
XLogP1.61
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1-cyclopropylethoxymethyl)pyridine
CID 88973388
dimethyl pyridin-2-ylmethyl phosphate
CID 11622628
N-ethyl-1,1-dimethoxy-3-pyridin-2-ylpropan-2-amine
CID 79492661
pyridin-2-ylmethyl 2-aminopropanoate
CID 83529934
pyridin-2-ylmethyl hypoiodite
CID 67567753
2,3-dimethyl-4-[1-(pyridin-2-ylmethoxy)ethoxy]pyridine
CID 19600563
N-(pyridin-2-ylmethoxy)methanamine
CID 58351102
pyridin-2-ylmethyl 2-trimethylsilylpropanoate
CID 11962005
[[dimethyl(2-pyridin-2-ylethyl)silyl]-methoxymethyl]-trimethylsilane
CID 15864817
(1R)-1-[4-(pyridin-2-ylmethoxy)phenyl]ethanamine
CID 30121102
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
2-(1,1-difluoroethoxymethyl)pyridine
CID 68641957

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dimethoxypropan-2-yloxymethyl)pyridine?
The IUPAC name of 2-(1,1-dimethoxypropan-2-yloxymethyl)pyridine (CID 67415336) is 2-(1,1-dimethoxypropan-2-yloxymethyl)pyridine.
What is the SMILES notation for 2-(1,1-dimethoxypropan-2-yloxymethyl)pyridine?
The canonical SMILES for 2-(1,1-dimethoxypropan-2-yloxymethyl)pyridine is COC(OC)C(C)OCc1ccccn1.
What is the InChIKey of 2-(1,1-dimethoxypropan-2-yloxymethyl)pyridine?
The InChIKey is WECKZARKEFDAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-9(11(13-2)14-3)15-8-10-6-4-5-7-12-10/h4-7,9,11H,8H2,1-3H3.
What are the key properties of 2-(1,1-dimethoxypropan-2-yloxymethyl)pyridine?
2-(1,1-dimethoxypropan-2-yloxymethyl)pyridine has a molecular weight of 211.26 g/mol, XLogP of 1.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dimethoxypropan-2-yloxymethyl)pyridine is sourced from PubChem (CID 67415336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).